Y9R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C74 | C75 | doub | 1.38Å | 1.39Å | Aromatic |
| C74 | N73 | sing | 1.32Å | 1.35Å | Aromatic |
| C75 | C76 | sing | 1.38Å | 1.42Å | Aromatic |
| N73 | C72 | doub | 1.32Å | 1.35Å | Aromatic |
| C76 | C71 | doub | 1.40Å | 1.38Å | Aromatic |
| C72 | C71 | sing | 1.39Å | 1.42Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C71 | C65 | sing | 1.48Å | 1.52Å | |
| N1 | C2 | sing | 1.40Å | 1.46Å | |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C65 | C64 | doub | 1.40Å | 1.41Å | Aromatic |
| C65 | N66 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C32 | sing | 1.51Å | 1.53Å | |
| C64 | C63 | sing | 1.38Å | 1.40Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.52Å | |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| N66 | C61 | doub | 1.32Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.66Å | |
| C32 | C19 | sing | 1.53Å | 1.55Å | |
| S8 | O10 | doub | 1.42Å | 1.38Å | |
| S8 | N11 | sing | 1.66Å | 1.68Å | |
| C63 | N62 | doub | 1.32Å | 1.38Å | Aromatic |
| C61 | N62 | sing | 1.33Å | 1.35Å | Aromatic |
| C61 | N60 | sing | 1.38Å | 1.34Å | |
| C19 | N20 | sing | 1.47Å | 1.49Å | |
| C19 | C17 | sing | 1.53Å | 1.55Å | |
| N60 | C55 | sing | 1.40Å | 1.38Å | |
| N11 | C16 | sing | 1.47Å | 1.48Å | |
| N11 | C12 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| N20 | C21 | sing | 1.35Å | 1.30Å | |
| C56 | C55 | doub | 1.39Å | 1.38Å | Aromatic |
| C56 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C21 | O22 | doub | 1.22Å | 1.20Å | |
| C21 | C51 | sing | 1.48Å | 1.51Å | |
| C55 | C54 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C51 | C52 | doub | 1.40Å | 1.41Å | Aromatic |
| C54 | C57 | sing | 1.51Å | 1.52Å | |
| C54 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| O18 | H19 | sing | 0.97Å | 0.95Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| N20 | H28 | sing | 0.97Å | 1.00Å | |
| C56 | H29 | sing | 1.08Å | 1.08Å | |
| C57 | H30 | sing | 1.09Å | 1.10Å | |
| C57 | H31 | sing | 1.09Å | 1.10Å | |
| C57 | H32 | sing | 1.09Å | 1.10Å | |
| C53 | H33 | sing | 1.08Å | 1.08Å | |
| C52 | H34 | sing | 1.08Å | 1.08Å | |
| N60 | H35 | sing | 0.97Å | 1.00Å | |
| C64 | H36 | sing | 1.08Å | 1.08Å | |
| C63 | H37 | sing | 1.08Å | 1.08Å | |
| C76 | H38 | sing | 1.08Å | 1.08Å | |
| C75 | H39 | sing | 1.08Å | 1.08Å | |
| C74 | H40 | sing | 1.08Å | 1.08Å | |
| C72 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C75 | C74 | N73 | 121.5° | 121.0° |
| C74 | C75 | C76 | 119.6° | 119.3° |
| C74 | C75 | H39 | 120.2° | 120.3° |
| C75 | C74 | H40 | 119.3° | 119.5° |
| C74 | N73 | C72 | 119.9° | 121.9° |
| N73 | C74 | H40 | 119.3° | 119.5° |
| C75 | C76 | C71 | 118.6° | 118.3° |
| C75 | C76 | H38 | 120.7° | 120.9° |
| C76 | C75 | H39 | 120.2° | 120.4° |
| N73 | C72 | C71 | 121.3° | 120.6° |
| N73 | C72 | H41 | 119.4° | 119.7° |
| C76 | C71 | C72 | 119.1° | 118.9° |
| C76 | C71 | C65 | 120.8° | 120.6° |
| C71 | C76 | H38 | 120.7° | 120.8° |
| C72 | C71 | C65 | 120.1° | 120.5° |
| C71 | C72 | H41 | 119.3° | 119.7° |
| C36 | C35 | C34 | 117.9° | 120.1° |
| C35 | C36 | C37 | 119.7° | 120.0° |
| C35 | C36 | H24 | 120.2° | 120.0° |
| C36 | C35 | H25 | 121.0° | 120.0° |
| C35 | C34 | C33 | 122.3° | 120.0° |
| C34 | C35 | H25 | 121.1° | 120.0° |
| C35 | C34 | H26 | 118.9° | 120.0° |
| C36 | C37 | C38 | 121.5° | 120.0° |
| C36 | C37 | H23 | 119.3° | 120.0° |
| C37 | C36 | H24 | 120.2° | 120.0° |
| C71 | C65 | C64 | 126.7° | 120.5° |
| C71 | C65 | N66 | 117.7° | 120.5° |
| N1 | C2 | C3 | 118.0° | 120.1° |
| N1 | C2 | C7 | 120.3° | 120.1° |
| C2 | N1 | H2 | 109.5° | 120.0° |
| C2 | N1 | H3 | 109.4° | 120.0° |
| C34 | C33 | C38 | 120.1° | 120.0° |
| C33 | C34 | H26 | 118.8° | 120.0° |
| C34 | C33 | H27 | 120.0° | 120.0° |
| C37 | C38 | C33 | 118.5° | 120.0° |
| C37 | C38 | C32 | 121.8° | 120.0° |
| C38 | C37 | H23 | 119.2° | 120.0° |
| C2 | C3 | C4 | 118.8° | 119.9° |
| C3 | C2 | C7 | 121.7° | 119.8° |
| C2 | C3 | H5 | 120.6° | 120.0° |
| C3 | C4 | C5 | 121.8° | 120.1° |
| C3 | C4 | H4 | 119.1° | 120.0° |
| C4 | C3 | H5 | 120.6° | 120.1° |
| C2 | C7 | C6 | 119.2° | 119.9° |
| C2 | C7 | H6 | 120.4° | 120.0° |
| C64 | C65 | N66 | 115.5° | 119.0° |
| C65 | C64 | C63 | 122.3° | 118.4° |
| C65 | C64 | H36 | 118.8° | 120.8° |
| C65 | N66 | C61 | 120.9° | 120.6° |
| C4 | C5 | C6 | 119.1° | 120.1° |
| C4 | C5 | S8 | 115.8° | 120.0° |
| C5 | C4 | H4 | 119.1° | 119.9° |
| C33 | C38 | C32 | 119.7° | 120.0° |
| C38 | C33 | H27 | 119.9° | 120.0° |
| C38 | C32 | C19 | 111.9° | 109.5° |
| C38 | C32 | H21 | 108.9° | 109.5° |
| C38 | C32 | H22 | 108.9° | 109.5° |
| C64 | C63 | N62 | 120.7° | 119.3° |
| C63 | C64 | H36 | 118.8° | 120.8° |
| C64 | C63 | H37 | 119.6° | 120.3° |
| O9 | S8 | C5 | 108.0° | 106.4° |
| O9 | S8 | O10 | 118.7° | 123.2° |
| O9 | S8 | N11 | 105.0° | 106.4° |
| C7 | C6 | C5 | 119.4° | 120.1° |
| C7 | C6 | H1 | 120.3° | 120.0° |
| C6 | C7 | H6 | 120.4° | 120.1° |
| N66 | C61 | N62 | 125.2° | 121.7° |
| N66 | C61 | N60 | 116.5° | 119.2° |
| C6 | C5 | S8 | 125.0° | 119.9° |
| C5 | C6 | H1 | 120.3° | 119.9° |
| C5 | S8 | O10 | 112.1° | 106.4° |
| C5 | S8 | N11 | 109.3° | 107.2° |
| C32 | C19 | N20 | 110.1° | 109.5° |
| C32 | C19 | C17 | 114.2° | 109.5° |
| C32 | C19 | H20 | 107.6° | 109.5° |
| C19 | C32 | H21 | 108.9° | 109.4° |
| C19 | C32 | H22 | 108.9° | 109.5° |
| O10 | S8 | N11 | 103.2° | 106.4° |
| S8 | N11 | C16 | 117.7° | 120.0° |
| S8 | N11 | C12 | 115.9° | 120.0° |
| C63 | N62 | C61 | 115.2° | 121.0° |
| N62 | C63 | H37 | 119.7° | 120.4° |
| N62 | C61 | N60 | 118.1° | 119.2° |
| C61 | N60 | C55 | 124.8° | 120.0° |
| C61 | N60 | H35 | 117.6° | 120.1° |
| N20 | C19 | C17 | 108.8° | 109.5° |
| C19 | N20 | C21 | 129.5° | 120.0° |
| N20 | C19 | H20 | 108.3° | 109.4° |
| C19 | N20 | H28 | 115.2° | 120.0° |
| C19 | C17 | C16 | 113.9° | 109.5° |
| C19 | C17 | O18 | 109.3° | 109.4° |
| C19 | C17 | H18 | 106.7° | 109.5° |
| C17 | C19 | H20 | 107.6° | 109.5° |
| N60 | C55 | C56 | 120.8° | 120.0° |
| N60 | C55 | C54 | 120.2° | 120.0° |
| C55 | N60 | H35 | 117.6° | 120.0° |
| C16 | N11 | C12 | 115.1° | 120.0° |
| N11 | C16 | C17 | 113.2° | 109.5° |
| N11 | C16 | H16 | 108.5° | 109.5° |
| N11 | C16 | H17 | 108.5° | 109.4° |
| N11 | C12 | C13 | 112.1° | 109.5° |
| N11 | C12 | H7 | 108.8° | 109.5° |
| N11 | C12 | H8 | 108.8° | 109.5° |
| C16 | C17 | O18 | 112.1° | 109.5° |
| C17 | C16 | H16 | 108.5° | 109.5° |
| C17 | C16 | H17 | 108.5° | 109.5° |
| C16 | C17 | H18 | 106.4° | 109.5° |
| N20 | C21 | O22 | 121.8° | 120.0° |
| N20 | C21 | C51 | 122.6° | 120.0° |
| C21 | N20 | H28 | 115.2° | 119.9° |
| C55 | C56 | C51 | 120.5° | 119.8° |
| C56 | C55 | C54 | 119.0° | 120.0° |
| C55 | C56 | H29 | 119.7° | 120.1° |
| C56 | C51 | C21 | 118.1° | 120.1° |
| C56 | C51 | C52 | 120.9° | 119.8° |
| C51 | C56 | H29 | 119.7° | 120.1° |
| O18 | C17 | H18 | 108.1° | 109.5° |
| C17 | O18 | H19 | 109.5° | 114.0° |
| O22 | C21 | C51 | 115.6° | 120.0° |
| C21 | C51 | C52 | 121.0° | 120.1° |
| C55 | C54 | C57 | 122.1° | 119.9° |
| C55 | C54 | C53 | 119.5° | 120.2° |
| C12 | C13 | C14 | 111.8° | 109.4° |
| C12 | C13 | C15 | 107.5° | 109.5° |
| C13 | C12 | H7 | 108.8° | 109.5° |
| C13 | C12 | H8 | 108.8° | 109.5° |
| C12 | C13 | H9 | 110.3° | 109.5° |
| C51 | C52 | C53 | 118.3° | 120.0° |
| C51 | C52 | H34 | 120.8° | 120.0° |
| C57 | C54 | C53 | 118.1° | 119.9° |
| C54 | C57 | H30 | 109.5° | 109.5° |
| C54 | C57 | H31 | 109.4° | 109.4° |
| C54 | C57 | H32 | 109.5° | 109.5° |
| C54 | C53 | C52 | 121.4° | 120.2° |
| C54 | C53 | H33 | 119.3° | 119.9° |
| C14 | C13 | C15 | 106.6° | 109.5° |
| C14 | C13 | H9 | 110.2° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C15 | C13 | H9 | 110.3° | 109.5° |
| C13 | C15 | H10 | 109.5° | 109.5° |
| C13 | C15 | H11 | 109.5° | 109.5° |
| C13 | C15 | H12 | 109.5° | 109.4° |
| C52 | C53 | H33 | 119.3° | 119.9° |
| C53 | C52 | H34 | 120.8° | 120.0° |
| H2 | N1 | H3 | 109.5° | 120.0° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H12 | 109.4° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H13 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H30 | C57 | H31 | 109.5° | 109.5° |
| H30 | C57 | H32 | 109.4° | 109.5° |
| H31 | C57 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C75 | C74 | N73 | H40 | 180.0° | 180.0° |
| C74 | C75 | C76 | H39 | 180.0° | 180.0° |
| C75 | C74 | N73 | C72 | 0.3° | 0.3° |
| C74 | C75 | C76 | C71 | 1.8° | 0.0° |
| C74 | C75 | C76 | H38 | 178.2° | 180.0° |
| N73 | C74 | C75 | C76 | 0.9° | 0.0° |
| C74 | N73 | C72 | C71 | 0.6° | 0.6° |
| N73 | C74 | C75 | H39 | 179.1° | 180.0° |
| C74 | N73 | C72 | H41 | 179.4° | 180.0° |
| C75 | C76 | C71 | H38 | 180.0° | 180.0° |
| C75 | C76 | C71 | C72 | 1.5° | 0.3° |
| C75 | C76 | C71 | C65 | 179.6° | 180.0° |
| C76 | C75 | C74 | H40 | 179.1° | 180.0° |
| N73 | C72 | C71 | C76 | 0.3° | 0.5° |
| N73 | C72 | C71 | H41 | 180.0° | 179.4° |
| N73 | C72 | C71 | C65 | 179.3° | 179.7° |
| C72 | N73 | C74 | H40 | 179.7° | 179.7° |
| C76 | C71 | C72 | C65 | 179.0° | 179.7° |
| C76 | C71 | C65 | C64 | 13.9° | 180.0° |
| C76 | C71 | C65 | N66 | 162.8° | 0.0° |
| C71 | C76 | C75 | H39 | 178.2° | 180.0° |
| C76 | C71 | C72 | H41 | 179.7° | 180.0° |
| C72 | C71 | C65 | C64 | 165.0° | 0.2° |
| C72 | C71 | C65 | N66 | 18.3° | 179.7° |
| C72 | C71 | C76 | H38 | 178.5° | 179.7° |
| C36 | C35 | C34 | H25 | 180.0° | 180.0° |
| C35 | C36 | C37 | H24 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 2.6° | 0.3° |
| C35 | C36 | C37 | C38 | 0.8° | 0.0° |
| C35 | C36 | C37 | H23 | 179.2° | 180.0° |
| C36 | C35 | C34 | H26 | 177.5° | 179.9° |
| C34 | C35 | C36 | C37 | 1.4° | 0.0° |
| C35 | C34 | C33 | H26 | 180.0° | 179.8° |
| C35 | C34 | C33 | C38 | 1.4° | 0.6° |
| C34 | C35 | C36 | H24 | 178.6° | 179.9° |
| C35 | C34 | C33 | H27 | 178.6° | 180.0° |
| C36 | C37 | C38 | H23 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 2.0° | 0.3° |
| C36 | C37 | C38 | C32 | 176.2° | 180.0° |
| C37 | C36 | C35 | H25 | 178.5° | 180.0° |
| C71 | C65 | C64 | N66 | 176.8° | 179.9° |
| C71 | C65 | C64 | C63 | 179.3° | 180.0° |
| C71 | C65 | N66 | C61 | 179.5° | 180.0° |
| C71 | C65 | C64 | H36 | 0.7° | 0.1° |
| C65 | C71 | C76 | H38 | 0.4° | 0.0° |
| C65 | C71 | C72 | H41 | 0.7° | 0.3° |
| N1 | C2 | C3 | C7 | 179.2° | 179.4° |
| N1 | C2 | C3 | C4 | 179.2° | 179.7° |
| N1 | C2 | C7 | C6 | 178.2° | 180.0° |
| C2 | N1 | H2 | H3 | 120.0° | 180.0° |
| N1 | C2 | C3 | H5 | 0.8° | 0.6° |
| N1 | C2 | C7 | H6 | 1.8° | 0.6° |
| C34 | C33 | C38 | C37 | 0.9° | 0.6° |
| C34 | C33 | C38 | H27 | 180.0° | 179.5° |
| C34 | C33 | C38 | C32 | 177.3° | 179.7° |
| C33 | C34 | C35 | H25 | 177.4° | 179.8° |
| C37 | C38 | C33 | C32 | 178.3° | 179.7° |
| C37 | C38 | C32 | C19 | 75.6° | 90.0° |
| C37 | C38 | C32 | H21 | 44.7° | 29.9° |
| C37 | C38 | C32 | H22 | 164.0° | 150.0° |
| C38 | C37 | C36 | H24 | 179.1° | 180.0° |
| C37 | C38 | C33 | H27 | 179.1° | 180.0° |
| C2 | C3 | C4 | H5 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C3 | C2 | C7 | C6 | 2.6° | 0.6° |
| C3 | C2 | N1 | H2 | 180.0° | 179.4° |
| C3 | C2 | N1 | H3 | 60.0° | 0.6° |
| C2 | C3 | C4 | H4 | 179.0° | 179.9° |
| C3 | C2 | C7 | H6 | 177.4° | 180.0° |
| C4 | C3 | C2 | C7 | 1.6° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.3° | 0.0° |
| C3 | C4 | C5 | S8 | 178.8° | 179.7° |
| C2 | C7 | C6 | H6 | 180.0° | 179.4° |
| C2 | C7 | C6 | C5 | 1.1° | 0.6° |
| C2 | C7 | C6 | H1 | 178.9° | 179.5° |
| C7 | C2 | N1 | H2 | 0.8° | 0.0° |
| C7 | C2 | N1 | H3 | 119.2° | 180.0° |
| C7 | C2 | C3 | H5 | 178.4° | 180.0° |
| C65 | C64 | C63 | H36 | 180.0° | 179.9° |
| C64 | C65 | N66 | C61 | 2.4° | 0.1° |
| C65 | C64 | C63 | N62 | 0.1° | 0.1° |
| C65 | C64 | C63 | H37 | 179.9° | 180.0° |
| N66 | C65 | C64 | C63 | 2.6° | 0.1° |
| C65 | N66 | C61 | N62 | 0.1° | 0.1° |
| C65 | N66 | C61 | N60 | 175.2° | 179.7° |
| N66 | C65 | C64 | H36 | 177.5° | 180.0° |
| C4 | C5 | S8 | O9 | 23.5° | 156.2° |
| C4 | C5 | C6 | C7 | 1.3° | 0.3° |
| C4 | C5 | C6 | S8 | 176.1° | 179.7° |
| C4 | C5 | S8 | O10 | 156.1° | 23.2° |
| C4 | C5 | S8 | N11 | 90.1° | 90.3° |
| C4 | C5 | C6 | H1 | 178.8° | 179.7° |
| C5 | C4 | C3 | H5 | 179.1° | 179.7° |
| C33 | C38 | C32 | C19 | 102.6° | 90.3° |
| C33 | C38 | C32 | H21 | 137.1° | 149.7° |
| C33 | C38 | C32 | H22 | 17.8° | 29.7° |
| C33 | C38 | C37 | H23 | 178.0° | 179.7° |
| C38 | C33 | C34 | H26 | 178.6° | 179.6° |
| C38 | C32 | C19 | H21 | 120.4° | 120.0° |
| C38 | C32 | C19 | H22 | 120.3° | 120.0° |
| C38 | C32 | C19 | N20 | 56.5° | 64.9° |
| C38 | C32 | C19 | C17 | 179.3° | 175.0° |
| C38 | C32 | C19 | H20 | 61.3° | 55.0° |
| C38 | C32 | H21 | H22 | 118.9° | 120.0° |
| C32 | C38 | C37 | H23 | 3.8° | 0.0° |
| C32 | C38 | C33 | H27 | 2.7° | 0.3° |
| C64 | C63 | N62 | H37 | 180.0° | 179.9° |
| C64 | C63 | N62 | C61 | 2.4° | 0.1° |
| O9 | S8 | C5 | C6 | 152.7° | 23.5° |
| O9 | S8 | C5 | O10 | 132.5° | 132.9° |
| O9 | S8 | C5 | N11 | 113.7° | 113.5° |
| O9 | S8 | O10 | N11 | 115.6° | 122.9° |
| O9 | S8 | N11 | C16 | 32.4° | 156.4° |
| O9 | S8 | N11 | C12 | 174.3° | 23.6° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | S8 | 177.3° | 180.0° |
| N66 | C61 | N62 | C63 | 2.6° | 0.1° |
| N66 | C61 | N62 | N60 | 175.3° | 179.6° |
| N66 | C61 | N60 | C55 | 142.6° | 174.5° |
| N66 | C61 | N60 | H35 | 37.4° | 5.4° |
| C6 | C5 | S8 | O10 | 20.1° | 156.4° |
| C6 | C5 | S8 | N11 | 93.7° | 90.0° |
| C6 | C5 | C4 | H4 | 177.6° | 179.9° |
| C5 | C6 | C7 | H6 | 178.9° | 180.0° |
| C5 | S8 | O10 | N11 | 117.4° | 114.1° |
| C5 | S8 | N11 | C16 | 83.2° | 90.0° |
| C5 | S8 | N11 | C12 | 58.7° | 90.0° |
| S8 | C5 | C6 | H1 | 2.7° | 0.1° |
| S8 | C5 | C4 | H4 | 1.2° | 0.2° |
| C32 | C19 | N20 | C17 | 125.9° | 120.1° |
| C32 | C19 | N20 | H20 | 117.4° | 120.0° |
| C32 | C19 | C17 | H20 | 119.4° | 120.0° |
| C32 | C19 | C17 | C16 | 74.0° | 65.0° |
| C32 | C19 | N20 | C21 | 132.1° | 85.0° |
| C32 | C19 | C17 | O18 | 52.2° | 55.0° |
| C32 | C19 | C17 | H18 | 168.9° | 175.0° |
| C19 | C32 | H21 | H22 | 118.9° | 120.0° |
| C32 | C19 | N20 | H28 | 47.8° | 95.1° |
| O10 | S8 | N11 | C16 | 157.4° | 23.6° |
| O10 | S8 | N11 | C12 | 60.7° | 156.5° |
| S8 | N11 | C16 | C12 | 142.2° | 180.0° |
| S8 | N11 | C16 | C17 | 111.2° | 93.8° |
| S8 | N11 | C12 | C13 | 140.0° | 91.9° |
| S8 | N11 | C12 | H7 | 19.6° | 148.1° |
| S8 | N11 | C12 | H8 | 99.6° | 28.1° |
| S8 | N11 | C16 | H16 | 128.3° | 146.2° |
| S8 | N11 | C16 | H17 | 9.3° | 26.2° |
| C63 | N62 | C61 | N60 | 172.7° | 179.7° |
| N62 | C63 | C64 | H36 | 179.9° | 180.0° |
| N62 | C61 | N60 | C55 | 33.1° | 5.9° |
| N62 | C61 | N60 | H35 | 146.9° | 174.2° |
| C61 | N62 | C63 | H37 | 177.6° | 180.0° |
| C61 | N60 | C55 | H35 | 180.0° | 179.9° |
| C61 | N60 | C55 | C56 | 33.4° | 30.7° |
| C61 | N60 | C55 | C54 | 145.2° | 149.3° |
| N20 | C19 | C17 | H20 | 117.1° | 120.0° |
| N20 | C19 | C17 | C16 | 162.5° | 175.0° |
| C19 | N20 | C21 | H28 | 180.0° | 179.9° |
| N20 | C19 | C17 | O18 | 71.3° | 65.0° |
| C19 | N20 | C21 | O22 | 10.5° | 0.0° |
| C19 | N20 | C21 | C51 | 168.4° | 180.0° |
| N20 | C19 | C17 | H18 | 45.4° | 55.0° |
| N20 | C19 | C32 | H21 | 176.9° | 55.0° |
| N20 | C19 | C32 | H22 | 63.8° | 175.0° |
| C19 | C17 | C16 | N11 | 67.8° | 175.0° |
| C19 | C17 | C16 | O18 | 124.7° | 119.9° |
| C19 | C17 | C16 | H18 | 117.3° | 120.0° |
| C17 | C19 | N20 | C21 | 101.9° | 154.9° |
| C19 | C17 | O18 | H18 | 115.8° | 120.0° |
| C19 | C17 | C16 | H16 | 171.6° | 65.0° |
| C19 | C17 | C16 | H17 | 52.7° | 55.0° |
| C19 | C17 | O18 | H19 | 180.0° | 60.0° |
| C17 | C19 | C32 | H21 | 60.3° | 65.0° |
| C17 | C19 | C32 | H22 | 59.0° | 55.0° |
| C17 | C19 | N20 | H28 | 78.1° | 25.0° |
| N60 | C55 | C56 | C54 | 178.6° | 180.0° |
| N60 | C55 | C56 | C51 | 178.6° | 180.0° |
| N60 | C55 | C54 | C57 | 0.4° | 0.0° |
| N60 | C55 | C54 | C53 | 173.9° | 180.0° |
| N60 | C55 | C56 | H29 | 1.4° | 0.0° |
| N11 | C16 | C17 | H16 | 120.5° | 120.0° |
| N11 | C16 | C17 | H17 | 120.5° | 120.0° |
| N11 | C16 | C17 | O18 | 167.5° | 65.0° |
| C16 | N11 | C12 | C13 | 77.1° | 88.1° |
| C16 | N11 | C12 | H7 | 162.5° | 31.9° |
| C16 | N11 | C12 | H8 | 43.3° | 151.9° |
| N11 | C16 | H16 | H17 | 118.3° | 120.0° |
| N11 | C16 | C17 | H18 | 49.5° | 55.0° |
| C12 | N11 | C16 | C17 | 106.6° | 86.2° |
| N11 | C12 | C13 | H7 | 120.4° | 120.0° |
| N11 | C12 | C13 | H8 | 120.4° | 120.0° |
| N11 | C12 | C13 | C14 | 63.2° | 176.2° |
| N11 | C12 | C13 | C15 | 179.9° | 63.8° |
| N11 | C12 | H7 | H8 | 118.8° | 120.0° |
| N11 | C12 | C13 | H9 | 59.7° | 56.2° |
| C12 | N11 | C16 | H16 | 13.9° | 33.8° |
| C12 | N11 | C16 | H17 | 132.9° | 153.8° |
| C16 | C17 | O18 | H18 | 117.0° | 120.1° |
| C17 | C16 | H16 | H17 | 118.3° | 120.0° |
| C16 | C17 | O18 | H19 | 52.8° | 60.0° |
| C16 | C17 | C19 | H20 | 45.4° | 55.0° |
| N20 | C21 | C51 | C56 | 48.8° | 179.7° |
| N20 | C21 | O22 | C51 | 179.0° | 180.0° |
| N20 | C21 | C51 | C52 | 131.9° | 0.1° |
| C21 | N20 | C19 | H20 | 14.8° | 35.0° |
| C55 | C56 | C51 | H29 | 180.0° | 180.0° |
| C55 | C56 | C51 | C21 | 176.6° | 180.0° |
| C55 | C56 | C51 | C52 | 2.8° | 0.3° |
| C56 | C55 | C54 | C57 | 178.3° | 180.0° |
| C56 | C55 | C54 | C53 | 4.8° | 0.0° |
| C56 | C55 | N60 | H35 | 146.6° | 149.2° |
| C56 | C51 | C21 | O22 | 130.2° | 0.3° |
| C56 | C51 | C21 | C52 | 179.3° | 179.7° |
| C51 | C56 | C55 | C54 | 0.1° | 0.0° |
| C56 | C51 | C52 | C53 | 0.8° | 0.5° |
| C56 | C51 | C52 | H34 | 179.2° | 179.7° |
| O18 | C17 | C16 | H16 | 47.0° | 55.0° |
| O18 | C17 | C16 | H17 | 72.0° | 175.0° |
| O18 | C17 | C19 | H20 | 171.6° | 175.0° |
| O22 | C21 | C51 | C52 | 49.1° | 180.0° |
| O22 | C21 | N20 | H28 | 169.5° | 179.9° |
| C21 | C51 | C52 | C53 | 178.5° | 179.8° |
| C51 | C21 | N20 | H28 | 11.6° | 0.1° |
| C21 | C51 | C56 | H29 | 3.5° | 0.1° |
| C21 | C51 | C52 | H34 | 1.5° | 0.1° |
| C55 | C54 | C57 | C53 | 173.6° | 180.0° |
| C55 | C54 | C53 | C52 | 6.8° | 0.2° |
| C54 | C55 | C56 | H29 | 180.0° | 180.0° |
| C55 | C54 | C57 | H30 | 93.5° | 90.0° |
| C55 | C54 | C57 | H31 | 146.5° | 150.0° |
| C55 | C54 | C57 | H32 | 26.5° | 30.0° |
| C55 | C54 | C53 | H33 | 173.2° | 180.0° |
| C54 | C55 | N60 | H35 | 34.8° | 30.8° |
| C12 | C13 | C14 | C15 | 117.3° | 120.0° |
| C12 | C13 | C14 | H9 | 123.0° | 120.0° |
| C12 | C13 | C15 | H9 | 120.3° | 120.0° |
| C13 | C12 | H7 | H8 | 118.8° | 120.0° |
| C12 | C13 | C15 | H10 | 180.0° | 52.8° |
| C12 | C13 | C15 | H11 | 60.0° | 172.8° |
| C12 | C13 | C15 | H12 | 60.0° | 67.1° |
| C12 | C13 | C14 | H13 | 180.0° | 60.0° |
| C12 | C13 | C14 | H14 | 60.0° | 180.0° |
| C12 | C13 | C14 | H15 | 60.0° | 60.0° |
| C51 | C52 | C53 | C54 | 4.0° | 0.5° |
| C51 | C52 | C53 | H34 | 180.0° | 179.7° |
| C52 | C51 | C56 | H29 | 177.2° | 179.7° |
| C51 | C52 | C53 | H33 | 176.0° | 179.7° |
| C57 | C54 | C53 | C52 | 179.4° | 179.8° |
| C54 | C57 | H30 | H31 | 120.0° | 119.9° |
| C54 | C57 | H30 | H32 | 120.0° | 120.1° |
| C54 | C57 | H31 | H32 | 120.0° | 120.0° |
| C57 | C54 | C53 | H33 | 0.6° | 0.0° |
| C54 | C53 | C52 | H33 | 180.0° | 179.8° |
| C53 | C54 | C57 | H30 | 92.9° | 89.9° |
| C53 | C54 | C57 | H31 | 27.1° | 30.0° |
| C53 | C54 | C57 | H32 | 147.1° | 150.0° |
| C54 | C53 | C52 | H34 | 176.0° | 179.8° |
| C14 | C13 | C15 | H9 | 119.7° | 120.0° |
| C14 | C13 | C12 | H7 | 57.2° | 63.8° |
| C14 | C13 | C12 | H8 | 176.4° | 56.2° |
| C14 | C13 | C15 | H10 | 60.0° | 67.2° |
| C14 | C13 | C15 | H11 | 60.0° | 52.8° |
| C14 | C13 | C15 | H12 | 180.0° | 172.9° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H15 | 120.0° | 120.1° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C15 | C13 | C12 | H7 | 59.5° | 56.2° |
| C15 | C13 | C12 | H8 | 59.7° | 176.2° |
| C13 | C15 | H10 | H11 | 120.0° | 120.1° |
| C13 | C15 | H10 | H12 | 120.0° | 120.0° |
| C13 | C15 | H11 | H12 | 120.0° | 120.0° |
| C15 | C13 | C14 | H13 | 62.7° | 180.0° |
| C15 | C13 | C14 | H14 | 177.2° | 60.0° |
| C15 | C13 | C14 | H15 | 57.3° | 60.0° |
| H1 | C6 | C7 | H6 | 1.1° | 0.0° |
| H4 | C4 | C3 | H5 | 0.9° | 0.2° |
| H7 | C12 | C13 | H9 | 179.9° | 176.2° |
| H8 | C12 | C13 | H9 | 60.7° | 63.7° |
| H9 | C13 | C15 | H10 | 59.7° | 172.8° |
| H9 | C13 | C15 | H11 | 179.7° | 67.1° |
| H9 | C13 | C15 | H12 | 60.3° | 52.9° |
| H9 | C13 | C14 | H13 | 57.0° | 60.0° |
| H9 | C13 | C14 | H14 | 63.0° | 60.0° |
| H9 | C13 | C14 | H15 | 177.0° | 180.0° |
| H10 | C15 | H11 | H12 | 120.0° | 119.9° |
| H13 | C14 | H14 | H15 | 120.0° | 119.9° |
| H16 | C16 | C17 | H18 | 71.1° | 175.0° |
| H17 | C16 | C17 | H18 | 170.0° | 65.0° |
| H18 | C17 | O18 | H19 | 64.2° | 180.0° |
| H18 | C17 | C19 | H20 | 71.7° | 65.0° |
| H20 | C19 | C32 | H21 | 59.1° | 175.0° |
| H20 | C19 | C32 | H22 | 178.4° | 65.0° |
| H20 | C19 | N20 | H28 | 165.2° | 144.9° |
| H23 | C37 | C36 | H24 | 0.9° | 0.0° |
| H24 | C36 | C35 | H25 | 1.4° | 0.1° |
| H25 | C35 | C34 | H26 | 2.6° | 0.0° |
| H26 | C34 | C33 | H27 | 1.4° | 0.2° |
| H30 | C57 | H31 | H32 | 120.0° | 120.0° |
| H33 | C53 | C52 | H34 | 4.0° | 0.0° |
| H36 | C64 | C63 | H37 | 0.1° | 0.1° |
| H38 | C76 | C75 | H39 | 1.8° | 0.0° |
| H39 | C75 | C74 | H40 | 0.9° | 0.0° |
